SCHEMBL1980000

SCHEMBL1980000

Cc1[c]cc(C)c(-c2ccccc2Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 2/20 0.51
POLB P06746 2/20 0.40
KMT2A Q03164 1/20 0.40
HSD11B1 P28845 4/20 0.39
CYP2A6 P11509 1/20 0.38
DPP4 P27487 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TNKS2 Q9H2K2 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
KCNA3 P22001 2/20 0.35
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4426438 0.80 HTR2B (0.36) ALDH1A1MAPTTP53
SCHEMBL29294775 0.78 PLA2G7 (0.64) PLA2G7POLBKMT2AHSD11B1CYP2A6
SCHEMBL3410795 0.77 PLA2G7 (0.37) PLA2G7POLBKMT2AHSD11B1CYP2A6
SCHEMBL2944478 0.75 ESR2 (0.42) POLBKMT2ACYP2A6ALDH1A1RAB9A
SCHEMBL5993767 0.73 PTGDR2 (0.41) KMT2AALDH1A1LMNAMAPT
SCHEMBL10506631 0.72 PLA2G7 (0.44) PLA2G7POLBKMT2AHSD11B1CYP2A6
SCHEMBL7463096 0.72 CYP2A6 (0.43) KMT2AHSD11B1CYP2A6ALDH1A1NPC1
SCHEMBL458016 0.72 CYP2A6 (0.48) PLA2G7POLBKMT2AHSD11B1CYP2A6
SCHEMBL15354397 0.71 PLA2G7 (0.67) PLA2G7POLBKMT2AHSD11B1CYP2A6
SCHEMBL277914 0.71 PLA2G7 (0.67) PLA2G7POLBKMT2AHSD11B1CYP2A6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011072207-A1 AZOCYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-16 WO disclosed